N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine

C48H31N3S — CID 118333318

IUPACN-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C48H31N3S/c1-2-12-32(13-3-1)49(33-22-24-34(25-23-33)50-43-18-8-4-14-37(43)38-15-5-9-19-44(38)50)36-26-28-40-39-16-6-10-20-45(39)51(46(40)31-36)35-27-29-48-42(30-35)41-17-7-11-21-47(41)52-48/h1-31H
InChIKeyPNLNRGRFAVHKGW-UHFFFAOYSA-N
MW681.86 g/mol
LogP13.72
Rot. Bonds5

About N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine

N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine (PubChem CID 118333318) has the molecular formula C48H31N3S and a molecular weight of 681.86 g/mol. Its IUPAC name is N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine.

Molecular Properties

Compound NameN-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
PubChem CID118333318
Molecular FormulaC48H31N3S
Molecular Weight681.86 g/mol
Exact Mass681.22
IUPAC NameN-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine
SMILESc1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1
InChIInChI=1S/C48H31N3S/c1-2-12-32(13-3-1)49(33-22-24-34(25-23-33)50-43-18-8-4-14-37(43)38-15-5-9-19-44(38)50)36-26-28-40-39-16-6-10-20-45(39)51(46(40)31-36)35-27-29-48-42(30-35)41-17-7-11-21-47(41)52-48/h1-31H
InChIKeyPNLNRGRFAVHKGW-UHFFFAOYSA-N
XLogP13.72
TPSA13.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500681.86
LogP ≤ 513.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N,N-diphenyl-11-[4-(N-phenylanilino)phenyl]-[1]benzothiolo[3,2-b]carbazol-9-amine
CID 90050804
9-dibenzothiophen-2-yl-N-(4-methylphenyl)-N-[4-(4-phenylphenyl)phenyl]carbazol-2-amine
CID 118333305
N-dibenzothiophen-2-yl-N-[4-(3,5-diphenylphenyl)phenyl]-9-phenylcarbazol-2-amine
CID 70808743
8-carbazol-9-yl-N-phenyl-N-[4-(3-phenylphenyl)phenyl]dibenzothiophen-3-amine
CID 90372249
9-dibenzofuran-2-yl-N-(4-dibenzothiophen-2-ylphenyl)-N-phenylcarbazol-2-amine
CID 118333340
N-(8-bromodibenzothiophen-2-yl)-N,9-diphenylcarbazol-2-amine
CID 129194626
N-[3-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-2-amine
CID 121329672
N,N-diphenyl-8-(9-phenylcarbazol-2-yl)dibenzothiophen-3-amine
CID 145430526
N,N-diphenyl-7-[3-(N-phenylanilino)phenyl]-[1]benzothiolo[2,3-b]carbazol-9-amine
CID 90050702
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-phenylaniline
CID 90077208
N-[4-(4-carbazol-9-ylphenyl)phenyl]-N-(4-phenylphenyl)dibenzothiophen-3-amine
CID 155396635
N-(4-carbazol-9-ylphenyl)-N-(4-dibenzothiophen-2-ylphenyl)-4-(4-phenylphenyl)aniline
CID 90351069

Frequently Asked Questions

What is the IUPAC name of N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine?
The IUPAC name of N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine (CID 118333318) is N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine.
What is the SMILES notation for N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine?
The canonical SMILES for N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine is c1ccc(N(c2ccc(-n3c4ccccc4c4ccccc43)cc2)c2ccc3c4ccccc4n(-c4ccc5sc6ccccc6c5c4)c3c2)cc1.
What is the InChIKey of N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine?
The InChIKey is PNLNRGRFAVHKGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C48H31N3S/c1-2-12-32(13-3-1)49(33-22-24-34(25-23-33)50-43-18-8-4-14-37(43)38-15-5-9-19-44(38)50)36-26-28-40-39-16-6-10-20-45(39)51(46(40)31-36)35-27-29-48-42(30-35)41-17-7-11-21-47(41)52-48/h1-31H.
What are the key properties of N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine?
N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine has a molecular weight of 681.86 g/mol, XLogP of 13.72, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-carbazol-9-ylphenyl)-9-dibenzothiophen-2-yl-N-phenylcarbazol-2-amine is sourced from PubChem (CID 118333318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).